2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole

C13H10ClN3O — CID 162717905

IUPAC2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1
InChIInChI=1S/C13H10ClN3O/c1-18-9-2-3-10-8(6-9)7-12(16-10)11-4-5-15-13(14)17-11/h2-7,16H,1H3
InChIKeyYQTUBZFGNUTKOB-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole

2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole (PubChem CID 162717905) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
PubChem CID162717905
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1
InChIInChI=1S/C13H10ClN3O/c1-18-9-2-3-10-8(6-9)7-12(16-10)11-4-5-15-13(14)17-11/h2-7,16H,1H3
InChIKeyYQTUBZFGNUTKOB-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
CID 162717915
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
5-methoxy-1H-indole-2-thiol
CID 119094198
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
3-[[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylmethyl]-6-methoxy-1H-quinolin-2-one
CID 172991878
5-(5-methoxy-3-pyridinyl)-2-pyridin-2-yl-1H-indole
CID 146451960
5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986478
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole (CID 162717905) is 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole is COc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole?
The InChIKey is YQTUBZFGNUTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-9-2-3-10-8(6-9)7-12(16-10)11-4-5-15-13(14)17-11/h2-7,16H,1H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole?
2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole is sourced from PubChem (CID 162717905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).